N-(8-amino-2-methyl-5,6-dihydrobenzo[f]quinoxalin-3-yl)-2-phenylacetamide

C21H20N4O — CID 89009367

IUPACN-(8-amino-2-methyl-5,6-dihydrobenzo[f]quinoxalin-3-yl)-2-phenylacetamide
SMILESCc1nc2c(nc1NC(=O)Cc1ccccc1)CCc1cc(N)ccc1-2
InChIInChI=1S/C21H20N4O/c1-13-21(25-19(26)11-14-5-3-2-4-6-14)24-18-10-7-15-12-16(22)8-9-17(15)20(18)23-13/h2-6,8-9,12H,7,10-11,22H2,1H3,(H,24,25,26)
InChIKeyVNAGPNDWWANSSG-UHFFFAOYSA-N
MW344.42 g/mol
LogP3.31
Rot. Bonds3

About N-(8-amino-2-methyl-5,6-dihydrobenzo[f]quinoxalin-3-yl)-2-phenylacetamide

N-(8-amino-2-methyl-5,6-dihydrobenzo[f]quinoxalin-3-yl)-2-phenylacetamide (PubChem CID 89009367) has the molecular formula C21H20N4O and a molecular weight of 344.42 g/mol. Its IUPAC name is N-(8-amino-2-methyl-5,6-dihydrobenzo[f]quinoxalin-3-yl)-2-phenylacetamide.

Molecular Properties

Compound NameN-(8-amino-2-methyl-5,6-dihydrobenzo[f]quinoxalin-3-yl)-2-phenylacetamide
PubChem CID89009367
Molecular FormulaC21H20N4O
Molecular Weight344.42 g/mol
Exact Mass344.16
IUPAC NameN-(8-amino-2-methyl-5,6-dihydrobenzo[f]quinoxalin-3-yl)-2-phenylacetamide
SMILESCc1nc2c(nc1NC(=O)Cc1ccccc1)CCc1cc(N)ccc1-2
InChIInChI=1S/C21H20N4O/c1-13-21(25-19(26)11-14-5-3-2-4-6-14)24-18-10-7-15-12-16(22)8-9-17(15)20(18)23-13/h2-6,8-9,12H,7,10-11,22H2,1H3,(H,24,25,26)
InChIKeyVNAGPNDWWANSSG-UHFFFAOYSA-N
XLogP3.31
TPSA80.90 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.42
LogP ≤ 53.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(8-amino-2-methyl-5,6-dihydrobenzo[f]quinoxalin-3-yl)-2-phenylacetamide?
The IUPAC name of N-(8-amino-2-methyl-5,6-dihydrobenzo[f]quinoxalin-3-yl)-2-phenylacetamide (CID 89009367) is N-(8-amino-2-methyl-5,6-dihydrobenzo[f]quinoxalin-3-yl)-2-phenylacetamide.
What is the SMILES notation for N-(8-amino-2-methyl-5,6-dihydrobenzo[f]quinoxalin-3-yl)-2-phenylacetamide?
The canonical SMILES for N-(8-amino-2-methyl-5,6-dihydrobenzo[f]quinoxalin-3-yl)-2-phenylacetamide is Cc1nc2c(nc1NC(=O)Cc1ccccc1)CCc1cc(N)ccc1-2.
What is the InChIKey of N-(8-amino-2-methyl-5,6-dihydrobenzo[f]quinoxalin-3-yl)-2-phenylacetamide?
The InChIKey is VNAGPNDWWANSSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20N4O/c1-13-21(25-19(26)11-14-5-3-2-4-6-14)24-18-10-7-15-12-16(22)8-9-17(15)20(18)23-13/h2-6,8-9,12H,7,10-11,22H2,1H3,(H,24,25,26).
What are the key properties of N-(8-amino-2-methyl-5,6-dihydrobenzo[f]quinoxalin-3-yl)-2-phenylacetamide?
N-(8-amino-2-methyl-5,6-dihydrobenzo[f]quinoxalin-3-yl)-2-phenylacetamide has a molecular weight of 344.42 g/mol, XLogP of 3.31, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(8-amino-2-methyl-5,6-dihydrobenzo[f]quinoxalin-3-yl)-2-phenylacetamide is sourced from PubChem (CID 89009367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).